QSAR Toolbox version 2.1 now available

News Alert

ECHA/NA/11/06
Media enquiries: ECHA Press

Version 2.1 of the OECD QSAR Toolbox to group chemical substances into categories is now available to download

Helsinki, 17 February 2011 - The software helps registrants and authorities to use (Q)SAR¹ methodologies to group chemical substances into categories and to fill data gaps by read-across, trend analysis and to assess the (eco)toxicity hazards of a particular chemical without new testing under REACH. This help to save costs and avoid unnecessary animal tests.

The user can:

• Identify analogues for a chemical, retrieve experimental results available for those analogues and fill data gaps by read-across or trend analysis.
• Categorise large inventories of chemicals according to mechanisms or modes of action.
• Fill data gaps for any chemical by using the library of (Q)SAR models.
• Evaluate the robustness of a potential analogue for read-across.
• Evaluate the appropriateness of a (Q)SAR model for filling a data gap for a particular target chemical.
• Build QSAR models.

Version 2.1 has improved profiling and program modules and an installation suite.

The release is part of a four-year collaborative project between the OECD and ECHA.

¹ Quantitative Structure-Activity Relationship = method for estimating properties of a chemical from its molecular structure